2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride

C16H21ClF3N2O2- — CID 53351089

IUPAC2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C16H21F3N2O2.ClH/c1-21(13-5-3-2-4-6-13)11-15(22)20-12-7-9-14(10-8-12)23-16(17,18)19;/h7-10,13H,2-6,11H2,1H3,(H,20,22);1H/p-1
InChIKeyACAPDIODIQRTFR-UHFFFAOYSA-M
MW365.80 g/mol
LogP0.79
Rot. Bonds5

About 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride

2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride (PubChem CID 53351089) has the molecular formula C16H21ClF3N2O2- and a molecular weight of 365.80 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
PubChem CID53351089
Molecular FormulaC16H21ClF3N2O2-
Molecular Weight365.80 g/mol
Exact Mass365.12
IUPAC Name2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
SMILESCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1.[Cl-]
InChIInChI=1S/C16H21F3N2O2.ClH/c1-21(13-5-3-2-4-6-13)11-15(22)20-12-7-9-14(10-8-12)23-16(17,18)19;/h7-10,13H,2-6,11H2,1H3,(H,20,22);1H/p-1
InChIKeyACAPDIODIQRTFR-UHFFFAOYSA-M
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
N-cyclohexyl-N-methyl-4-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide
CID 55920262
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] N,N-dicyclohexylcarbamodithioate
CID 87047998
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366251
2-[cyclohexyl(methyl)amino]-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54817207
propyl 4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]benzoate
CID 54817758
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
2-[cycloheptyl(methyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 16577758

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride (CID 53351089) is 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride is CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C1CCCCC1.[Cl-].
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride?
The InChIKey is ACAPDIODIQRTFR-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-21(13-5-3-2-4-6-13)11-15(22)20-12-7-9-14(10-8-12)23-16(17,18)19;/h7-10,13H,2-6,11H2,1H3,(H,20,22);1H/p-1.
What are the key properties of 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride?
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride has a molecular weight of 365.80 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride is sourced from PubChem (CID 53351089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).